Geometry & MOs

Info

ID:	376162
PubChem CID:	134222167
Reduced:	NF3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	450.182254
ΔH_f, kcal/mol:	-260.23
Dipole, Da:	6.78
IP(EA), eV:	-9.24(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-amino-2-oxopyrimidin-1-yl)-4-[(E)-3-(3-chloro-5-methylphenyl)pent-1-enyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C)C(/C=C/C2=CC(=C(C=C2)CNC(=O)C(=O)OC)C)C(F)(F)F

DOS

IR

Vibrations